CAS RN: 82882-12-0
CAS Name: 6-chloro-N2-ethyl-5-(methylthio)pyrimidine-2,4-diamine
OPENEYE Name: 6-chloro-N2-ethyl-5-methylsulfanyl-pyrimidine-2,4-diamine
IUPAC Name: 6-chloro-2-N-ethyl-5-methylsulfanylpyrimidine-2,4-diamine
SYSTEMATIC NAME: 6-chloranyl-N2-ethyl-5-methylsulfanyl-pyrimidine-2,4-diamine
MOLECULAR FORMULA: C7H11ClN4S
MOLECULAR WEIGHT: 218.70704
SMILES: CCNC1=NC(=C(C(=N1)Cl)SC)N
Structure:
CAS RN: 61959-31-7
CAS Name: N6-methoxy-7H-purine-2,6-diamine
OPENEYE Name: N6-methoxy-7H-purine-2,6-diamine
IUPAC Name: 6-N-methoxy-7H-purine-2,6-diamine
SYSTEMATIC NAME: N6-methoxy-7H-purine-2,6-diamine
MOLECULAR FORMULA: C6H8N6O
MOLECULAR WEIGHT: 180.16732
SMILES: CONC1=NC(=NC2=C1NC=N2)N
Structure:
CAS RN: 59886-54-3
CAS Name: 2,5-bis(1-aziridinyl)-3,6-bis(2-hydroxyethylamino)cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2,5-bis(aziridin-1-yl)-3,6-bis(2-hydroxyethylamino)-1,4-benzoquinone
IUPAC Name: 2,5-bis(aziridin-1-yl)-3,6-bis(2-hydroxyethylamino)cyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2,5-bis(aziridin-1-yl)-3,6-bis(2-hydroxyethylamino)cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C14H20N4O4
MOLECULAR WEIGHT: 308.333
SMILES: C1CN1C2=C(C(=O)C(=C(C2=O)NCCO)N3CC3)NCCO
Structure:
CAS RN: 100100-36-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H27NO8
MOLECULAR WEIGHT: 457.47308
SMILES: CC1C(C(CC(O1)C2=C(C3=C(C=C2)C(=O)C4=C(C3=O)C(OC5C4OC(=O)C5)C)O)N(C)C)O
Structure:
CAS RN: 61168-60-3
CAS Name: 2-ethoxy-1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-methyl-4-pyrimidinone
OPENEYE Name: 2-ethoxy-1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidin-4-one
IUPAC Name: 2-ethoxy-1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-4-one
SYSTEMATIC NAME: 2-ethoxy-1-[(4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidin-4-one
MOLECULAR FORMULA: C12H18N2O5
MOLECULAR WEIGHT: 270.28172
SMILES: CCOC1=NC(=O)C(=CN1C2C[C@@H]([C@H](O2)CO)O)C
Structure:
CAS RN: 97534-02-6
CAS Name: (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[(1-methyl-2-pyridin-1-iumyl)methylthio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
OPENEYE Name: (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[(1-methylpyridin-1-ium-2-yl)methylsulfanyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
IUPAC Name: (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[(1-methylpyridin-1-ium-2-yl)methylsulfanyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
SYSTEMATIC NAME: (5R,6S)-3-[(1-methylpyridin-1-ium-2-yl)methylsulfanyl]-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
MOLECULAR FORMULA: C16H18N2O4S
MOLECULAR WEIGHT: 334.39012
SMILES: C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)[O-])SCC3=CC=CC=[N+]3C)O
Structure:
CAS RN: 91575-58-5
CAS Name: [(2R)-3-hexadecoxy-2-(methylcarbamoyloxy)propyl] 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: [(2R)-3-hexadecoxy-2-(methylcarbamoyloxy)propyl] 2-(trimethylammonio)ethyl phosphate
IUPAC Name: [(2R)-3-hexadecoxy-2-(methylcarbamoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: [(2R)-3-hexadecoxy-2-(methylcarbamoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C26H55N2O7P
MOLECULAR WEIGHT: 538.697861
SMILES: CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)NC
Structure:
CAS RN: 97480-60-9
CAS Name: 2-(2,6-dimethylphenoxy)-N,N-dimethylethanamine
OPENEYE Name: 2-(2,6-dimethylphenoxy)-N,N-dimethyl-ethanamine
IUPAC Name: 2-(2,6-dimethylphenoxy)-N,N-dimethylethanamine
SYSTEMATIC NAME: 2-(2,6-dimethylphenoxy)-N,N-dimethyl-ethanamine
MOLECULAR FORMULA: C12H19NO
MOLECULAR WEIGHT: 193.28536
SMILES: CC1=C(C(=CC=C1)C)OCCN(C)C
Structure:
CAS RN: 91121-19-6
CAS Name: (2R,3S)-2-(hydroxymethyl)-3-oxolanol
OPENEYE Name: (2R,3S)-2-(hydroxymethyl)tetrahydrofuran-3-ol
IUPAC Name: (2R,3S)-2-(hydroxymethyl)oxolan-3-ol
SYSTEMATIC NAME: (2R,3S)-2-(hydroxymethyl)oxolan-3-ol
MOLECULAR FORMULA: C5H10O3
MOLECULAR WEIGHT: 118.1311
SMILES: C1CO[C@@H]([C@H]1O)CO
Structure:
CAS RN: 203626-75-9
CAS Name: 3-isoquinolinecarboxylic acid
OPENEYE Name: isoquinoline-3-carboxylic acid
IUPAC Name: isoquinoline-3-carboxylic acid
SYSTEMATIC NAME: isoquinoline-3-carboxylic acid
MOLECULAR FORMULA: C10H7NO2
MOLECULAR WEIGHT: 173.16808
SMILES: C1=CC=C2C=NC(=CC2=C1)C(=O)O
Structure:
CAS RN: 91544-03-5
CAS Name: 3-isoquinolinecarboxylic acid
OPENEYE Name: isoquinoline-3-carboxylic acid
IUPAC Name: isoquinoline-3-carboxylic acid
SYSTEMATIC NAME: isoquinoline-3-carboxylic acid
MOLECULAR FORMULA: C10H7NO2
MOLECULAR WEIGHT: 173.16808
SMILES: C1=CC=C2C=NC(=CC2=C1)C(=O)O
Structure:
CAS RN: 91523-05-6
CAS Name: (6S,8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxy-1-oxoethyl)-6,10,13-trimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione
OPENEYE Name: (6S,8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione
IUPAC Name: (6S,8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione
SYSTEMATIC NAME: (6S,8S,9S,10R,13S,14S,17R)-6,10,13-trimethyl-17-oxidanyl-17-(2-oxidanylethanoyl)-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione
MOLECULAR FORMULA: C22H28O5
MOLECULAR WEIGHT: 372.45472
SMILES: C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(CC(=O)[C@@H]2[C@@]4(C1=CC(=O)C=C4)C)C)(C(=O)CO)O
Structure:
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